N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide

C14H17NO2 — CID 114028588

IUPACN-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C14H17NO2/c1-2-3-9-14(17)15-13-8-4-6-12(11-13)7-5-10-16/h1,4,6,8,11,16H,3,5,7,9-10H2,(H,15,17)
InChIKeyWDDRTEHFKKMJKG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide

N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide (PubChem CID 114028588) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
PubChem CID114028588
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C14H17NO2/c1-2-3-9-14(17)15-13-8-4-6-12(11-13)7-5-10-16/h1,4,6,8,11,16H,3,5,7,9-10H2,(H,15,17)
InChIKeyWDDRTEHFKKMJKG-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
N-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114
N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
CID 113397733
4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
N-(3-benzylphenyl)-3-hydroxypropanamide
CID 142480004
methyl 2-[3-(pent-4-ynoylamino)phenoxy]acetate
CID 114028678
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide?
The IUPAC name of N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide (CID 114028588) is N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide.
What is the SMILES notation for N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide?
The canonical SMILES for N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide is C#CCCC(=O)Nc1cccc(CCCO)c1.
What is the InChIKey of N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide?
The InChIKey is WDDRTEHFKKMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-3-9-14(17)15-13-8-4-6-12(11-13)7-5-10-16/h1,4,6,8,11,16H,3,5,7,9-10H2,(H,15,17).
What are the key properties of N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide?
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide has a molecular weight of 231.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide is sourced from PubChem (CID 114028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).